C2N
Summary
| Name: | 3-chloro-D-alanine |
| Synonyms: | 3-CHLOROALANINATE |
| Formula: | C3 H6 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 123.538 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-chloro-D-alanine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-3-chloranyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ClCC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CCl)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCl)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C([C@H](C(=O)O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(C(C(=O)O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1 |
| InChIKey | InChI | 1.03 | ASBJGPTTYPEMLP-UWTATZPHSA-N |
